2,2,3,3,4-pentamethyltridecane

C18H38 — CID 19371269

IUPAC2,2,3,3,4-pentamethyltridecane
SMILESCCCCCCCCCC(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C18H38/c1-8-9-10-11-12-13-14-15-16(2)18(6,7)17(3,4)5/h16H,8-15H2,1-7H3
InChIKeyMDKAXUQFQXWRBU-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.84
Rot. Bonds9

About 2,2,3,3,4-pentamethyltridecane

2,2,3,3,4-pentamethyltridecane (PubChem CID 19371269) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethyltridecane.

Molecular Properties

Compound Name2,2,3,3,4-pentamethyltridecane
PubChem CID19371269
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,2,3,3,4-pentamethyltridecane
SMILESCCCCCCCCCC(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C18H38/c1-8-9-10-11-12-13-14-15-16(2)18(6,7)17(3,4)5/h16H,8-15H2,1-7H3
InChIKeyMDKAXUQFQXWRBU-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentamethyltridecane?
The IUPAC name of 2,2,3,3,4-pentamethyltridecane (CID 19371269) is 2,2,3,3,4-pentamethyltridecane.
What is the SMILES notation for 2,2,3,3,4-pentamethyltridecane?
The canonical SMILES for 2,2,3,3,4-pentamethyltridecane is CCCCCCCCCC(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,4-pentamethyltridecane?
The InChIKey is MDKAXUQFQXWRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-8-9-10-11-12-13-14-15-16(2)18(6,7)17(3,4)5/h16H,8-15H2,1-7H3.
What are the key properties of 2,2,3,3,4-pentamethyltridecane?
2,2,3,3,4-pentamethyltridecane has a molecular weight of 254.50 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethyltridecane is sourced from PubChem (CID 19371269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).